N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

C20H15F5N4O — CID 133435345

IUPACN-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1ccc(C2OCCC2Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1F
InChIInChI=1S/C20H15F5N4O/c21-13-4-3-11(8-14(13)22)18-15(5-7-30-18)27-17-9-16(20(23,24)25)28-19(29-17)12-2-1-6-26-10-12/h1-4,6,8-10,15,18H,5,7H2,(H,27,28,29)
InChIKeyJWVDRDGJMQBEPU-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.78
Rot. Bonds4

About N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133435345) has the molecular formula C20H15F5N4O and a molecular weight of 422.36 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133435345
Molecular FormulaC20H15F5N4O
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFc1ccc(C2OCCC2Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1F
InChIInChI=1S/C20H15F5N4O/c21-13-4-3-11(8-14(13)22)18-15(5-7-30-18)27-17-9-16(20(23,24)25)28-19(29-17)12-2-1-6-26-10-12/h1-4,6,8-10,15,18H,5,7H2,(H,27,28,29)
InChIKeyJWVDRDGJMQBEPU-UHFFFAOYSA-N
XLogP4.78
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133435345) is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is Fc1ccc(C2OCCC2Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1F.
What is the InChIKey of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is JWVDRDGJMQBEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N4O/c21-13-4-3-11(8-14(13)22)18-15(5-7-30-18)27-17-9-16(20(23,24)25)28-19(29-17)12-2-1-6-26-10-12/h1-4,6,8-10,15,18H,5,7H2,(H,27,28,29).
What are the key properties of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 422.36 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133435345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).